4-(2-azanyl-3,5-dicyano-6-methylsulfanyl-pyridin-4-yl)benzoic acid

Systemtic Name: 4-(2-azanyl-3,5-dicyano-6-methylsulfanyl-pyridin-4-yl)benzoic acid Openeye Name: 4-(2-amino-3,5-dicyano-6-methylsulfanyl-4-pyridyl)benzoic acid CAS Name: 4-[2-amino-3,5-dicyano-6-(methylthio)-4-pyridinyl]benzoic acid IUPAC Name: 4-(2-amino-3,5-dicyano-6-methylsulfanylpyridin-4-yl)benzoic acid Traditional Name: 4-[2-amino-3,5-dicyano-6-(methylthio)-4-pyridyl]benzoic acid Formula: C15H10N4O2S MolecularWeight: 310.3305

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=C(C=C2)C(=O)O)C#N

InChI

InChI=1S/C15H10N4O2S/c1-22-14-11(7-17)12(10(6-16)13(18)19-14)8-2-4-9(5-3-8)15(20)21/h2-5H,1H3,(H2,18,19)(H,20,21)